N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine

C14H23NS — CID 10130933

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine
SMILESCCCN(CCC)C1CCc2ccsc2C1
InChIInChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-6-5-12-7-10-16-14(12)11-13/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeySIPNIUHKEGJHLT-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds5

About N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine

N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine (PubChem CID 10130933) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine
PubChem CID10130933
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine
SMILESCCCN(CCC)C1CCc2ccsc2C1
InChIInChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-6-5-12-7-10-16-14(12)11-13/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeySIPNIUHKEGJHLT-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine (CID 10130933) is N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine is CCCN(CCC)C1CCc2ccsc2C1.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine?
The InChIKey is SIPNIUHKEGJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-8-15(9-4-2)13-6-5-12-7-10-16-14(12)11-13/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine has a molecular weight of 237.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine is sourced from PubChem (CID 10130933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).